6VJU
Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-07-25 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.350, 91.790, 93.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.220 - 1.300 |
R-factor | 0.1489 |
Rwork | 0.148 |
R-free | 0.17990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4coo |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.220 | 41.220 | 1.330 |
High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
Rmerge | 0.051 | 0.029 | 0.535 |
Rmeas | 0.056 | 0.032 | 0.599 |
Total number of observations | 729374 | ||
Number of reflections | 138423 | 1654 | 10186 |
<I/σ(I)> | 15.68 | 38.61 | 2.56 |
Completeness [%] | 99.7 | 95.3 | 99.9 |
Redundancy | 5.269 | 4.912 | 4.999 |
CC(1/2) | 0.999 | 0.998 | 0.893 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | LepnA.01147.a.B1.PW38321 was crystallized at 19.49 mg/ml with 4 mM PLP, 4 mM serine, and 4 mM homocysteine and mixed 1:1 with 0.1 M ammonium acetate, 0.1 M Bis-Tris HCl pH 5.5, and 17% (w/v) PEG 10000. Cryo: 25% EG with 4 mM each ligand. Tray 3295506c1: puck mhb1-1 |